Icosahedral capsid formation by capsomers and short polyions.
(2013) In Journal of Chemical Physics 138(15).- Abstract
- Kinetical and structural aspects of the capsomer-polyion co-assembly into icosahedral viruses have been simulated by molecular dynamics using a coarse-grained model comprising cationic capsomers and short anionic polyions. Conditions were found at which the presence of polyions of a minimum length was necessary for capsomer formation. The largest yield of correctly formed capsids was obtained at which the driving force for capsid formation was relatively weak. Relatively stronger driving forces, i.e., stronger capsomer-capsomer short-range attraction and∕or stronger electrostatic interaction, lead to larger fraction of kinetically trapped structures and aberrant capsids. The intermediate formation was investigated and different evolving... (More)
- Kinetical and structural aspects of the capsomer-polyion co-assembly into icosahedral viruses have been simulated by molecular dynamics using a coarse-grained model comprising cationic capsomers and short anionic polyions. Conditions were found at which the presence of polyions of a minimum length was necessary for capsomer formation. The largest yield of correctly formed capsids was obtained at which the driving force for capsid formation was relatively weak. Relatively stronger driving forces, i.e., stronger capsomer-capsomer short-range attraction and∕or stronger electrostatic interaction, lead to larger fraction of kinetically trapped structures and aberrant capsids. The intermediate formation was investigated and different evolving scenarios were found by just varying the polyion length. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/3733396
- author
- Zhang, Ran LU and Linse, Per LU
- organization
- publishing date
- 2013
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 138
- issue
- 15
- article number
- 154901
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- wos:000317814900040
- pmid:23614442
- scopus:84887034184
- pmid:23614442
- ISSN
- 0021-9606
- DOI
- 10.1063/1.4799243
- language
- English
- LU publication?
- yes
- id
- 16e914fe-814d-48fe-bb8d-9bba764e8f9e (old id 3733396)
- date added to LUP
- 2016-04-01 09:50:11
- date last changed
- 2022-01-25 17:12:59
@article{16e914fe-814d-48fe-bb8d-9bba764e8f9e,
abstract = {{Kinetical and structural aspects of the capsomer-polyion co-assembly into icosahedral viruses have been simulated by molecular dynamics using a coarse-grained model comprising cationic capsomers and short anionic polyions. Conditions were found at which the presence of polyions of a minimum length was necessary for capsomer formation. The largest yield of correctly formed capsids was obtained at which the driving force for capsid formation was relatively weak. Relatively stronger driving forces, i.e., stronger capsomer-capsomer short-range attraction and∕or stronger electrostatic interaction, lead to larger fraction of kinetically trapped structures and aberrant capsids. The intermediate formation was investigated and different evolving scenarios were found by just varying the polyion length.}},
author = {{Zhang, Ran and Linse, Per}},
issn = {{0021-9606}},
language = {{eng}},
number = {{15}},
publisher = {{American Institute of Physics (AIP)}},
series = {{Journal of Chemical Physics}},
title = {{Icosahedral capsid formation by capsomers and short polyions.}},
url = {{http://dx.doi.org/10.1063/1.4799243}},
doi = {{10.1063/1.4799243}},
volume = {{138}},
year = {{2013}},
}